ChemSpider 2D Image | presatovir | C24H30ClN7O3S

presatovir

  • Molecular FormulaC24H30ClN7O3S
  • Average mass532.058 Da
  • Monoisotopic mass531.181946 Da
  • ChemSpider ID34501053
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1353625-73-6 [RN]
9977
GS-5806
Methanesulfonamide, N-[2-[[(2S)-2-[5-[(3S)-3-amino-1-pyrrolidinyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-1-piperidinyl]carbonyl]-4-chlorophenyl]- [ACD/Index Name]
N-(2-{[(2S)-2-{5-[(3S)-3-Amino-1-pyrrolidinyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl}-1-piperidinyl]carbonyl}-4-chlorophenyl)methanesulfonamide [ACD/IUPAC Name]
N-(2-{[(2S)-2-{5-[(3S)-3-Amino-1-pyrrolidinyl]-6-méthylpyrazolo[1,5-a]pyrimidin-2-yl}-1-pipéridinyl]carbonyl}-4-chlorophényl)méthanesulfonamide [French] [ACD/IUPAC Name]
N-(2-{[(2S)-2-{5-[(3S)-3-Amino-1-pyrrolidinyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl}-1-piperidinyl]carbonyl}-4-chlorphenyl)methansulfonamid [German] [ACD/IUPAC Name]
presatovir [INN] [USAN]
presatovir [Spanish] [INN]
présatovir [French] [INN]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9628AJ27JA [DBID]
UNII-9628AJ27JA [DBID]
UNII:9628AJ27JA [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Anti-infection MedChem Express HY-16727
      Anti-infection; MedChem Express HY-16727
      Presatovir is a novel, orally bioavailable RSV fusion inhibitor, against a wide range of RSV A and B clinical isolates (mean EC50 = 0.43 nM). MedChem Express http://www.medchemexpress.com/GPDA.html, HY-16727
      Presatovir is a novel, orally bioavailable RSV fusion inhibitor, against a wide range of RSV A and B clinical isolates (mean EC50 = 0.43 nM). ;IC50: 0.43 nM (EC50);Target: RSV;In vitro: Presatovir is a novel, orally bioavailable RSV fusion inhibitor discovered following a lead optimization campaign on a hit originated from a phenotypic RSV antiviral high-throughput screen. Presatovir exhibits potent activity against a wide range of RSV A and B clinical isolates.;In vivo: Presatovir demonstrates dose-dependent (0-30 mg/kg) antiviral efficacy in a cotton rat model of RSV infection. Oral bioavailability in preclinical species ranged from 46 to 100%, with penetration of the compound into the lung tissue demonstrated in Sprague-Dawley rats. Multidose oral treatment of Presatovir appeared safe in adults, and in healthy human volunteers experimentally infected with RSV, a potent antiviral effect and reduction in disease severity was observed in the high dose group. A group treated with MedChem Express HY-16727
      RSV MedChem Express HY-16727

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.735
Molar Refractivity: 138.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.79
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.97
Polar Surface Area: 134 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 64.7±7.0 dyne/cm
Molar Volume: 344.3±7.0 cm3

Click to predict properties on the Chemicalize site






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